9CS5
E. Coli AMTB with bound Xe ions
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2020-01-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.000 , 1.4865 |
| Spacegroup name | P 63 |
| Unit cell lengths | 110.343, 110.343, 84.457 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.260 - 2.130 |
| R-factor | 0.1531 |
| Rwork | 0.152 |
| R-free | 0.17420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.698 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_5246) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.560 | 2.190 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rpim | 0.034 | 0.562 |
| Number of reflections | 32967 | 2563 |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 99.6 | 95.9 |
| Redundancy | 9.9 | 9.7 |
| CC(1/2) | 0.998 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M Na-acetate, pH 4.6, 0.2 M MgSO4 and 23% PEG400 |
